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Name | Atypical chemokine receptor 3 |
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Species | Homo sapiens (Human) |
Gene | ACKR3 |
Synonym | RDC-1 GPR159 G-protein coupled receptor RDC1 homolog G-protein coupled receptor 159 Cxcr7 [ Show all ] |
Disease | Cancer Asthma |
Length | 362 |
Amino acid sequence | MDLHLFDYSEPGNFSDISWPCNSSDCIVVDTVMCPNMPNKSVLLYTLSFIYIFIFVIGMIANSVVVWVNIQAKTTGYDTHCYILNLAIADLWVVLTIPVWVVSLVQHNQWPMGELTCKVTHLIFSINLFGSIFFLTCMSVDRYLSITYFTNTPSSRKKMVRRVVCILVWLLAFCVSLPDTYYLKTVTSASNNETYCRSFYPEHSIKEWLIGMELVSVVLGFAVPFSIIAVFYFLLARAISASSDQEKHSSRKIIFSYVVVFLVCWLPYHVAVLLDIFSILHYIPFTCRLEHALFTALHVTQCLSLVHCCVNPVLYSFINRNYRYELMKAFIFKYSAKTGLTKLIDASRVSETEYSALEQSTK |
UniProt | P25106 |
Protein Data Bank | N/A |
GPCR-HGmod model | P25106 |
3D structure model | This predicted structure model is from GPCR-EXP P25106. |
BioLiP | N/A |
Therapeutic Target Database | T10491 |
ChEMBL | CHEMBL2010631 |
IUPHAR | 80 |
DrugBank | N/A |
Name | CHEMBL3942373 |
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Molecular formula | C26H34N4O2 |
IUPAC name | N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-2-methylpyridine-3-carboxamide |
Molecular weight | 434.584 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 3.5 |
Synonyms | BDBM243734 US9428456, 1.065 |
Inchi Key | DAVNHLVUNIGSDU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C26H34N4O2/c1-19-24(11-6-14-27-19)26(32)29-23-10-5-7-20(17-23)18-30-15-12-21(13-16-30)25(31)28-22-8-3-2-4-9-22/h5-7,10-11,14,17,21-22H,2-4,8-9,12-13,15-16,18H2,1H3,(H,28,31)(H,29,32) |
PubChem CID | 129626101 |
ChEMBL | CHEMBL3942373 |
IUPHAR | N/A |
BindingDB | 243734 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 59.0 nM | , None | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218